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CAS No.: | 874831-66-0 |
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Name: | tert-Butyl 4-(methylamino)butylcarbamate |
Molecular Structure: | |
Formula: | C10H22N2O2 |
Molecular Weight: | 202.297 |
Synonyms: | tert-Butyl [4-(methylamino)butyl]carbamate;2-Methyl-2-propanyl [4-(methylamino)butyl]carbamate;tert-Butyl-[4-(methylamino)butyl]carbamat; |
Density: | 0.941 g/cm3 |
Boiling Point: | 298.2 °C at 760 mmHg |
Flash Point: | 134.1 °C |
PSA: | 50.36000 |
LogP: | 2.29250 |
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The Carbamic acid,[4-(methylamino)butyl]-, 1,1-dimethylethyl ester (9CI) with the CAS number 874831-66-0 is also called 2-Methyl-2-propanyl [4-(methylamino)butyl]carbamate. The systematic name is tert-butyl [4-(methylamino)butyl]carbamate. Its molecular formula is C10H22N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Carbamic acid,[4-(methylamino)butyl]-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 50.36 Å2; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 57.3 cm3; (13)Molar Volume: 214.7 cm3; (14)Polarizability: 22.71×10-24cm3; (15)Surface Tension: 30.7 dyne/cm; (16)Enthalpy of Vaporization: 53.81 kJ/mol; (17)Vapour Pressure: 0.00129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCCCNC
(2)InChI: InChI=1/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h11H,5-8H2,1-4H3,(H,12,13)
(3)InChIKey: TTYVTUUWVLXDKW-UHFFFAOYAD